General Information of the Compound
| Compound ID |
CP0410520
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| Compound Name |
1-{1-[2-Methoxy-4-(1-phenyl-propoxy)-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C30H32N2O5
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| Molecular Weight |
500.595
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| Canonical SMILES |
CCC(Oc1ccc(C(=O)N2CCC(CC2)N2C(=O)OCc3ccccc23)c(OC)c1)c1ccccc1
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| InChI |
InChI=1S/C30H32N2O5/c1-3-27(21-9-5-4-6-10-21)37-24-13-14-25(28(19-24)35-2)29(33)31-17-15-23(16-18-31)32-26-12-8-7-11-22(26)20-36-30(32)34/h4-14,19,23,27H,3,15-18,20H2,1-2H3
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| InChIKey |
TXDRNEWDMKUULD-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound